5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-naphthalen-2-ylpyrazin-2-amine

C26H29N3OSi — CID 67432963

IUPAC5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-naphthalen-2-ylpyrazin-2-amine
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2cnc(N)c(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C26H29N3OSi/c1-26(2,3)31(4,5)30-22-14-12-19(13-15-22)23-17-28-25(27)24(29-23)21-11-10-18-8-6-7-9-20(18)16-21/h6-17H,1-5H3,(H2,27,28)
InChIKeyYMKZFJSADLFXDS-UHFFFAOYSA-N
MW427.62 g/mol
LogP6.93
Rot. Bonds4

About 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-naphthalen-2-ylpyrazin-2-amine

5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-naphthalen-2-ylpyrazin-2-amine (PubChem CID 67432963) has the molecular formula C26H29N3OSi and a molecular weight of 427.62 g/mol. Its IUPAC name is 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-naphthalen-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-naphthalen-2-ylpyrazin-2-amine
PubChem CID67432963
Molecular FormulaC26H29N3OSi
Molecular Weight427.62 g/mol
Exact Mass427.21
IUPAC Name5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-naphthalen-2-ylpyrazin-2-amine
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2cnc(N)c(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C26H29N3OSi/c1-26(2,3)31(4,5)30-22-14-12-19(13-15-22)23-17-28-25(27)24(29-23)21-11-10-18-8-6-7-9-20(18)16-21/h6-17H,1-5H3,(H2,27,28)
InChIKeyYMKZFJSADLFXDS-UHFFFAOYSA-N
XLogP6.93
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.62
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine
CID 11486146
tert-butyl-dimethyl-(7-phenylnaphthalen-2-yl)oxysilane
CID 166439727
3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazin-2-amine
CID 142945202
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline
CID 154489620
[6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 58257410
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-(4-methylphenyl)-3-naphthalen-1-ylpyrazin-2-yl]acetamide
CID 58455817
[4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane
CID 53360376
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(dimethylamino)phenyl]pyrazin-2-yl]acetamide
CID 67432425
N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]pyrazin-2-yl]-2-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]acetamide
CID 90138567
3-methyl-5-naphthalen-2-yl-2-phenylpyrazine
CID 58991358
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661

Frequently Asked Questions

What is the IUPAC name of 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-naphthalen-2-ylpyrazin-2-amine?
The IUPAC name of 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-naphthalen-2-ylpyrazin-2-amine (CID 67432963) is 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-naphthalen-2-ylpyrazin-2-amine.
What is the SMILES notation for 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-naphthalen-2-ylpyrazin-2-amine?
The canonical SMILES for 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-naphthalen-2-ylpyrazin-2-amine is CC(C)(C)[Si](C)(C)Oc1ccc(-c2cnc(N)c(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-naphthalen-2-ylpyrazin-2-amine?
The InChIKey is YMKZFJSADLFXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3OSi/c1-26(2,3)31(4,5)30-22-14-12-19(13-15-22)23-17-28-25(27)24(29-23)21-11-10-18-8-6-7-9-20(18)16-21/h6-17H,1-5H3,(H2,27,28).
What are the key properties of 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-naphthalen-2-ylpyrazin-2-amine?
5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-naphthalen-2-ylpyrazin-2-amine has a molecular weight of 427.62 g/mol, XLogP of 6.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-naphthalen-2-ylpyrazin-2-amine is sourced from PubChem (CID 67432963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).